orbital_charges     :real:2:4,15
  0.777319959038626E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.766130212245366E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.912311489394380E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.935638246691800E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.901160527212304E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.901160659180918E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.100458059412581E+001  0.779213952829847E+000  0.850129230746483E+000
  0.752236166379670E+000  0.105108148336047E+001  0.764209638692282E+000
  0.938821629191959E+000  0.813704730115086E+000  0.119917226404945E+001
  0.915890474897051E+000  0.976615081108693E+000  0.930991654845938E+000
  0.117332913648895E+001  0.909289748735275E+000  0.124435529464489E+001
  0.851060527565287E+000  0.126703846619796E+001  0.982578104298179E+000
  0.985145889360000E+000  0.947826982391339E+000  0.175142187437876E+001
  0.181574886997355E+001  0.146284469373397E+001  0.152279959369892E+001
  0.175816128356646E+001  0.142057020999474E+001  0.138704302305260E+001
  0.192496255900365E+001  0.141064725305615E+001  0.110648321451608E+001
  0.150445776593313E+001  0.108833825404862E+001  0.141667031722433E+001
  0.108476111422378E+001  0.169566330612714E+001  0.111843452368008E+001
forces              :real:2:3,15
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  0.944599819890605E-003  0.166242389201271E-002  0.174290928602319E-006
 -0.119971614302737E-002 -0.111612858924771E-002 -0.122973675414523E-006
  0.828162246780670E-003  0.281720984903535E-002  0.686054637936522E-008
 -0.119187682197510E-002  0.174376730204759E-002 -0.319362743829287E-003
 -0.119182515745844E-002  0.174380776182799E-002  0.319360818023198E-003
 -0.303932691155118E-001  0.195164923609749E-001  0.723198863036905E-006
 -0.516869549624847E-001 -0.651892629880638E-001 -0.340805212824961E-007
  0.103782917506236E-001  0.168140961372841E+000 -0.313247483659198E-006
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  0.317189685508380E-002 -0.133991856763575E-001  0.492844833955200E-007
  0.189347154584114E-001 -0.129752856565511E-001 -0.329798735869183E-006
  0.523076581571605E-002  0.579000758637945E-001 -0.440053351997313E-007
  0.218231210284954E-001 -0.214954465680858E-001 -0.120355732453557E-006
  0.507074410566502E-001  0.107139275264642E-001 -0.168412465823131E-006
total_energy        :real:0:
 -0.220980211301372E+002
end_coords          :real:2:3,15
  0.410979497722133E+000 -0.505826734814898E+001  0.000000000000000E+000
  0.387902919840002E+001  0.174756757163610E+001  0.000000000000000E+000
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  0.256426556992816E+001 -0.187932493673778E+001  0.000000000000000E+000
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 -0.478067415933069E+001  0.192836143641542E+001  0.000000000000000E+000
  0.461873975991738E+001 -0.294511905594037E+001  0.000000000000000E+000
  0.447506011355375E-001  0.444273068134114E+001  0.000000000000000E+000
  0.274221917654665E+000 -0.314875403874364E+001  0.000000000000000E+000
  0.225342265234082E+001  0.722120992015664E+000  0.188972598857892E-004
